3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 66333387

IUPAC3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCCOc1cc(NC2(C(=O)O)CCCC(C)C2)ncn1
InChIInChI=1S/C15H23N3O3/c1-3-7-21-13-8-12(16-10-17-13)18-15(14(19)20)6-4-5-11(2)9-15/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyHCSODMKVPMQLBB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.71
Rot. Bonds6

About 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 66333387) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID66333387
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCCOc1cc(NC2(C(=O)O)CCCC(C)C2)ncn1
InChIInChI=1S/C15H23N3O3/c1-3-7-21-13-8-12(16-10-17-13)18-15(14(19)20)6-4-5-11(2)9-15/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyHCSODMKVPMQLBB-UHFFFAOYSA-N
XLogP2.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-ethoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 115974051
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-ethoxypyrimidin-4-amine
CID 66333581
N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrimidin-4-amine
CID 66332609
1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61292222
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-methoxypyrimidin-4-amine
CID 66317642
[4-[(6-propoxypyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300157
3-methyl-1-(7H-purin-6-ylamino)cyclohexane-1-carboxylic acid
CID 61292392
3-methyl-1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 63617216
[1-[[(6-propoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115360640
1-[(6-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 64587554
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 66333387) is 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is CCCOc1cc(NC2(C(=O)O)CCCC(C)C2)ncn1.
What is the InChIKey of 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HCSODMKVPMQLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-7-21-13-8-12(16-10-17-13)18-15(14(19)20)6-4-5-11(2)9-15/h8,10-11H,3-7,9H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-propoxypyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66333387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).